2-[4-(trifluoromethyl)phenyl]sulfanylthiane-3,4,5-triol

Systemtic Name: 2-[4-(trifluoromethyl)phenyl]sulfanylthiane-3,4,5-triol Openeye Name: 2-[4-(trifluoromethyl)phenyl]sulfanyltetrahydrothiopyran-3,4,5-triol CAS Name: 2-[[4-(trifluoromethyl)phenyl]thio]thiane-3,4,5-triol IUPAC Name: 2-[4-(trifluoromethyl)phenyl]sulfanylthiane-3,4,5-triol Traditional Name: 2-[[4-(trifluoromethyl)phenyl]thio]tetrahydrothiopyran-3,4,5-triol Formula: C12H13F3O3S2 MolecularWeight: 326.35503

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)SC2=CC=C(C=C2)C(F)(F)F)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)SC2=CC=C(C=C2)C(F)(F)F)O)O)O

InChI

InChI=1S/C12H13F3O3S2/c13-12(14,15)6-1-3-7(4-2-6)20-11-10(18)9(17)8(16)5-19-11/h1-4,8-11,16-18H,5H2